SCHEMBL878210

SCHEMBL878210

Cc1ccc2nnn(CCC(C(=O)O)S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3C)c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 11/20 0.44
MMP2 P08253 4/20 0.40
MMP9 P14780 4/20 0.40
POLB P06746 1/20 0.36
MMP3 P08254 2/20 0.36
MMP13 P45452 2/20 0.36
MMP1 P03956 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRD4 O60885 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12472667 0.93 GPR139 (0.44) GPR139MMP2MMP9POLBMMP3
SCHEMBL874877 0.90 GPR139 (0.49) GPR139MMP2MMP9MMP3MMP13
SCHEMBL877309 0.90 MMP2 (0.51) GPR139MMP2MMP9POLBMMP3
SCHEMBL876841 0.86 MMP2 (0.46) GPR139MMP2MMP9MMP3MMP13
SCHEMBL877949 0.85 MMP2 (0.46) GPR139MMP2MMP9MMP3MMP13
SCHEMBL878111 0.84 MMP2 (0.47) GPR139MMP2MMP9MMP3MMP13
SCHEMBL877110 0.82 MMP2 (0.45) GPR139MMP2MMP9MMP3MMP13
SCHEMBL875182 0.81 MMP2 (0.51) GPR139MMP2MMP9MMP3MMP13
SCHEMBL874990 0.80 MMP2 (0.44) GPR139MMP2MMP9MMP3MMP13
SCHEMBL875088 0.80 GPR139 (0.45) GPR139MMP2MMP9POLBMMP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP claimed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO claimed